UCSF

ZINC37827468

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.76 0.87 -41.73 4 4 1 68 257.276 8
Mid Mid (pH 6-8) 0.76 0.54 -7.52 3 4 0 67 256.268 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )